General Information of the Compound
| Compound ID |
CP0961811
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| Compound Name |
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
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| Structure |
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| Formula |
C17H22N2O6S
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| Molecular Weight |
382.438
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| Canonical SMILES |
CN(C(=O)CNC(=O)c1cccc2c1OCCO2)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C17H22N2O6S/c1-19(12-5-9-26(22,23)10-6-12)15(20)11-18-17(21)13-3-2-4-14-16(13)25-8-7-24-14/h2-4,12H,5-11H2,1H3,(H,18,21)
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| InChIKey |
SLDHPOVROTVKIG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound